CAS 898780-93-3

Ethyl 2-[3-[4-(methylthio)phenyl]-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-[4-(methylthio)phenyl]-1-oxopropyl]benzoate, with the CAS number 898780-93-3, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group and a phenyl ring substituted with a methylthio group. This compound typically exhibits properties associated with esters, such as being a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is likely to be soluble in organic solvents like ethanol and dichloromethane, while being less soluble in water due to its hydrophobic characteristics. The presence of the methylthio group may impart unique reactivity and potential biological activity, making it of interest in pharmaceutical and chemical research. Additionally, the compound's structure suggests potential applications in organic synthesis and as an intermediate in the production of more complex molecules. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.

Formula: C₁₉H₂₀O₃S

InChI: InChI=1S/C19H20O3S/c1-3-22-19(21)17-7-5-4-6-16(17)18(20)13-10-14-8-11-15(23-2)12-9-14/h4-9,11-12H,3,10,13H2,1-2H3

InChI key: InChIKey=HDLAEHRALAIAOL-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(SC)C=C1)(=O)C2=C(C(OCC)=O)C=CC=C2

Synonyms:

• Ethyl 2-[3-[4-(methylthio)phenyl]-1-oxopropyl]benzoate
• Benzoic acid, 2-[3-[4-(methylthio)phenyl]-1-oxopropyl]-, ethyl ester